SCHEMBL17773534

SCHEMBL17773534

C[C@@H]1C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)OC2COC(C)(C)O[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ BCHE P06276 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ABCB1 P08183 10/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ SLC43A1 O75387 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7902263 0.83 L3MBTL1 (0.41) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL14440540 0.83 ALDH1A1 (0.43) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL14440928 0.83 ALDH1A1 (0.43) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL14568965 0.83 ALDH1A1 (0.43) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL14428933 0.83 ALDH1A1 (0.43) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL16378350 0.82 ALDH1A1 (0.37) PTGES2BCHEALDH1A1ABCB1GAA
SCHEMBL7150011 0.80 ALDH1A1 (0.46) PTGES2BCHEALDH1A1ABCB1GAA
SCHEMBL7932128 0.78 ALDH1A1 (0.38) BCHEALDH1A1ABCB1GAATSHR
SCHEMBL7691337 0.78 ALDH1A1 (0.55) ALDH1A1ABCB1GAATSHR
SCHEMBL10148625 0.78 NT5E (0.39) BCHEALDH1A1ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160144016-A1 SYNTHETIC OLIGOSACCHARIDES FOR P. AERUGINOSA VACCINE SYNGLYCO PHARMACEUTICALS, INC. (US) 2016-05-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160144016-A1 SYNTHETIC OLIGOSACCHARIDES FOR P. AERUGINOSA VACCINE DDOST, FUT5, FUT6 PTGES2 1076/4885BCHE 2286/4885ALDH1A1 4427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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